S688-0069 Screening compound: 1-[4-(dimethylamino)-4-(2-methoxyethyl)piperidin-1-yl]-2-(4-fluorophenoxy)ethan-1-one

S688-0069 Screening compound: 1-[4-(dimethylamino)-4-(2-methoxyethyl)piperidin-1-yl]-2-(4-fluorophenoxy)ethan-1-one
S688-0069 Screening compound: 1-[4-(dimethylamino)-4-(2-methoxyethyl)piperidin-1-yl]-2-(4-fluorophenoxy)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S688-0069
1-[4-(dimethylamino)-4-(2-methoxyethyl)piperidin-1-yl]-2-(4-fluorophenoxy)ethan-1-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

S688-0069

Molecular Formula

C18H27FN2O3 (C18 H27 FN2 O3)

Compound Name

1-[4-(dimethylamino)-4-(2-methoxyethyl)piperidin-1-yl]-2-(4-fluorophenoxy)ethan-1-one

IUPAC name

1-[4-(dimethylamino)-4-(2-methoxyethyl)piperidin-1-yl]-2-(4-fluorophenoxy)ethan-1-one

SMILES

CN(C)C(CCOC)(CC1)CCN1C(COc(cc1)ccc1F)=O

InChI

InChI=1S/C18H27FN2O3/c1-20(2)18(10-13-23-3)8-11-21(12-9-18)17(22)14-24-16-6-4-15(19)5-7-16/h4-7H,8-14H2,1-3H3

InChI Key

HZUKDCPGHCSDBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31987383

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.478

Distribution Coefficient, logD

-1.494

Water Solubility, LogSw

-1.67

Polar Surface Area

34.594

Acid Dissociation Constant (pKa)

24.84

Base Dissociation Constant (pKb)

10.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.11

S688-0069 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S688-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S688-0069?
Check Price and Availability of S688-0069, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S688-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S688-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S688-0069
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of S688-0069 available by request